1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine

C17H27NO — CID 115846995

IUPAC1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1ccc(C)cc1C
InChIInChI=1S/C17H27NO/c1-4-18-17(12-15-7-9-19-10-8-15)16-6-5-13(2)11-14(16)3/h5-6,11,15,17-18H,4,7-10,12H2,1-3H3
InChIKeyOWMGMTMCMSGKJA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.77
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine

1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine (PubChem CID 115846995) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
PubChem CID115846995
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1ccc(C)cc1C
InChIInChI=1S/C17H27NO/c1-4-18-17(12-15-7-9-19-10-8-15)16-6-5-13(2)11-14(16)3/h5-6,11,15,17-18H,4,7-10,12H2,1-3H3
InChIKeyOWMGMTMCMSGKJA-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106857381
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64627355
N-[1-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 81276755
1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846745
2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 114457580
1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 114330620
1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 106857386
1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 107102229
1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986405
N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987411
2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 102758480
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846782

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine (CID 115846995) is 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine is CCNC(CC1CCOCC1)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The InChIKey is OWMGMTMCMSGKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-18-17(12-15-7-9-19-10-8-15)16-6-5-13(2)11-14(16)3/h5-6,11,15,17-18H,4,7-10,12H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115846995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).